4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile

C10H4Cl2N4O — CID 58974961

IUPAC4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C10H4Cl2N4O/c11-8-14-9(12)16-10(15-8)17-7-3-1-6(5-13)2-4-7/h1-4H
InChIKeyJPQBNSXEMHZMLY-UHFFFAOYSA-N
MW267.08 g/mol
LogP2.84
Rot. Bonds2

About 4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile

4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile (PubChem CID 58974961) has the molecular formula C10H4Cl2N4O and a molecular weight of 267.08 g/mol. Its IUPAC name is 4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile.

Molecular Properties

Compound Name4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile
PubChem CID58974961
Molecular FormulaC10H4Cl2N4O
Molecular Weight267.08 g/mol
Exact Mass265.98
IUPAC Name4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile
SMILESN#Cc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C10H4Cl2N4O/c11-8-14-9(12)16-10(15-8)17-7-3-1-6(5-13)2-4-7/h1-4H
InChIKeyJPQBNSXEMHZMLY-UHFFFAOYSA-N
XLogP2.84
TPSA71.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.08
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,4-dichloro-6-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]phenoxy]-1,3,5-triazine
CID 10341266
4-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 62868776
4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 162501099
4-[2,6-bis(4-cyanophenoxy)pyrimidin-4-yl]oxybenzonitrile
CID 10717549
2-(4-bromophenoxy)-4,6-dichloro-1,3,5-triazine
CID 3858351
argon;4-(4-chlorophenoxy)benzonitrile
CID 158538207
2-(4-cyanophenoxy)pyrimidine-4-carbonitrile
CID 107545693
4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80869270
2,4-dichloro-6-phenoxy-1,3,5-triazine;ethane
CID 91071262
4-[5-(4-methoxyphenyl)pyrimidin-2-yl]oxybenzonitrile
CID 4226629
4-methoxy(13C)benzonitrile
CID 175991125
4-[(4-amino-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl)oxy]benzonitrile
CID 80865550

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile?
The IUPAC name of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile (CID 58974961) is 4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile.
What is the SMILES notation for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile?
The canonical SMILES for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile is N#Cc1ccc(Oc2nc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile?
The InChIKey is JPQBNSXEMHZMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4Cl2N4O/c11-8-14-9(12)16-10(15-8)17-7-3-1-6(5-13)2-4-7/h1-4H.
What are the key properties of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile?
4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile has a molecular weight of 267.08 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)oxy]benzonitrile is sourced from PubChem (CID 58974961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).